Measurements and Correlation of Liquid-Liquid Equilibria for the Ternary System Cyclohexanol + Water + Cyclohexyl Formate at 298.2-338.2 K

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F19%3A43919268" target="_blank" >RIV/60461373:22310/19:43919268 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22340/19:43919268 RIV/60461373:22810/19:43919268

Výsledek na webu

<a href="https://pubs.acs.org/doi/pdf/10.1021/acs.jced.8b01104" target="_blank" >https://pubs.acs.org/doi/pdf/10.1021/acs.jced.8b01104</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.8b01104" target="_blank" >10.1021/acs.jced.8b01104</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Measurements and Correlation of Liquid-Liquid Equilibria for the Ternary System Cyclohexanol + Water + Cyclohexyl Formate at 298.2-338.2 K

Popis výsledku v původním jazyce

Cyclohexanol is an important intermediate in production of adipic acid and ϵ-caprolactam. On the industrial scale, cyclohexanol is produced by several methods that suffer from considerable drawbacks, such as a low conversion of the initial substance, low selectivity of the process, or explosion risks in the oxidation unit. To design a new process of indirect hydration of cyclohexene in the presence of formic acid, it is necessary to know the given system properties. In this paper, the data of liquid-liquid equilibrium (LLE) are presented for the system of cyclohexanol + water + cyclohexyl formate under atmospheric pressure and within a temperature range from 298.2 to 338.2 K. The experiments were conducted in a temperature-controlled glass cell and the received data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical equations in order to obtain binary interaction parameters describing LLE of the given system. The measured data accuracy was specified by the Bachman and Othmer-Tobias equations. The data fitting accuracy was evaluated by the use of the calculated average absolute deviation and the root-mean-square-error values. The NRTL model obtained in this work was compared to a previous published model. The model obtained in this work significantly improves the prediction of ternary data at elevated temperatures. © 2019 American Chemical Society.

Název v anglickém jazyce

Measurements and Correlation of Liquid-Liquid Equilibria for the Ternary System Cyclohexanol + Water + Cyclohexyl Formate at 298.2-338.2 K

Popis výsledku anglicky

Cyclohexanol is an important intermediate in production of adipic acid and ϵ-caprolactam. On the industrial scale, cyclohexanol is produced by several methods that suffer from considerable drawbacks, such as a low conversion of the initial substance, low selectivity of the process, or explosion risks in the oxidation unit. To design a new process of indirect hydration of cyclohexene in the presence of formic acid, it is necessary to know the given system properties. In this paper, the data of liquid-liquid equilibrium (LLE) are presented for the system of cyclohexanol + water + cyclohexyl formate under atmospheric pressure and within a temperature range from 298.2 to 338.2 K. The experiments were conducted in a temperature-controlled glass cell and the received data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical equations in order to obtain binary interaction parameters describing LLE of the given system. The measured data accuracy was specified by the Bachman and Othmer-Tobias equations. The data fitting accuracy was evaluated by the use of the calculated average absolute deviation and the root-mean-square-error values. The NRTL model obtained in this work was compared to a previous published model. The model obtained in this work significantly improves the prediction of ternary data at elevated temperatures. © 2019 American Chemical Society.

Druh

J_SC - Článek v periodiku v databázi SCOPUS

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Engineering Data

ISSN

0021-9568

e-ISSN

—

Svazek periodika

64

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

1195-1201

Kód UT WoS článku

—

EID výsledku v databázi Scopus

2-s2.0-85062105095